Chemical Properties of Dioxacarb

InChI

InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)

InChI Key

SDKQRNRRDYRQKY-UHFFFAOYSA-N

Formula

C11H13NO4

SMILES

CNC(=O)Oc1ccccc1C1OCCO1

Molecular Weight¹

223.23

Other Names

• 2-(1,3-Dioxolan-2-yl)phenyl methylcarbamate
• 2-(1,3-Dioxolan-2-yl)phenyl-N-methylcarbamat
• 2-(1,3-Dioxolane-2-yl)phenyl N-methylcarbamate
• C-8353
• CIBA 8353
• CIBA C 8353
• Carbamic acid, methyl-, o-(1,3-dioxolan-2-yl)phenyl ester
• DU PONT 1519
• Dioxacarbe
• Dioxocarb
• Du Pont insecticide 1519
• ENT 27,389
• Elecron 50
• Elocron
• Elocron 50WP
• Elocron 8353
• Famid
• MCDP
• NSC 190981
• Phenol, 2-(1,3-dioxolan-2-yl)-, methylcarbamate
• Rovlinka
• o-(1,3-Dioxolan-2-yl)phenyl methylcarbamate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.26	kJ/mol	Joback Calculated Property
log10WS	[-1.57; -1.57]
log10WS	-1.57		Aq. Solubility Prediction
log10WS	-1.57		Estimated Solubility
logPoct/wat	1.450		Crippen Calculated Property
McVol	160.390	ml/mol	McGowan Calculated Property
Tfus	[387.65; 388.27]	K
Tfus	387.65	K	Aq. Solubility Prediction
Tfus	388.27 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.32; 511.82]	J/mol×K	[660.51; 892.89]
Cp,gas	439.32	J/mol×K	660.51	Joback Calculated Property
Cp,gas	454.23	J/mol×K	699.24	Joback Calculated Property
Cp,gas	467.96	J/mol×K	737.97	Joback Calculated Property
Cp,gas	480.55	J/mol×K	776.70	Joback Calculated Property
Cp,gas	492.04	J/mol×K	815.43	Joback Calculated Property
Cp,gas	502.45	J/mol×K	854.16	Joback Calculated Property
Cp,gas	511.82	J/mol×K	892.89	Joback Calculated Property
ΔfusH	23.82	kJ/mol	387.20	NIST

Similar Compounds

Find more compounds similar to Dioxacarb.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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